HRID110375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID31374

Dimethylacetamide

C4H9NO

HCID78705

Cyclobutanecarbonyl chloride

C5H7ClO

结构：Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(N)cn4n3)ccc2C)n(C)n1

HCID57505636

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CCC5)cn4n3)ccc2C)n(C)n1

HCID57505644

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24ce191dee674ce5987d85040929a4c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:37][N:38]([CH3:39])[C:40](=[O:41])[CH3:42].[CH:30]1([C:34](=[O:35])[Cl:36])[CH2:31][CH2:32][CH2:33]1.[ClH:1].[NH2:2][c:3]1[n:4][c:5]2[n:6]([n:7][c:8]([O:11][c:12]3[cH:13][cH:14][c:15]([CH3:28])[c:16]([NH:18][C:19](=[O:20])[c:21]4[cH:22][c:23]([CH3:27])[n:24][n:25]4[CH3:26])[cH:17]3)[cH:9][cH:10]2)[cH:29]1>>[NH:2]([c:3]1[n:4][c:5]2[n:6]([n:7][c:8]([O:11][c:12]3[cH:13][cH:14][c:15]([CH3:28])[c:16]([NH:18][C:19](=[O:20])[c:21]4[cH:22][c:23]([CH3:27])[n:24][n:25]4[CH3:26])[cH:17]3)[cH:9][cH:10]2)[cH:29]1)[C:34]([CH:30]1[CH2:31][CH2:32][CH2:33]1)=[O:35]